4-pyridin-3-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine

Systemtic Name: 4-pyridin-3-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Openeye Name: 4-(3-pyridyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine CAS Name: 4-(3-pyridinyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine IUPAC Name: 4-pyridin-3-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Traditional Name: [4-(3-pyridyl)-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]azepin-2-yl]amine Formula: C13H15N5 MolecularWeight: 241.2917

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC2=NC(=NC(=C2C1)C3=CN=CC=C3)N

Isomeric SMILES

C1CCNC2=NC(=NC(=C2C1)C3=CN=CC=C3)N

InChI

InChI=1S/C13H15N5/c14-13-17-11(9-4-3-6-15-8-9)10-5-1-2-7-16-12(10)18-13/h3-4,6,8H,1-2,5,7H2,(H3,14,16,17,18)